/* $RCSfile$ * $Author$ * $Date$ * $Revision$ * * Copyright (C) 2004-2007 The Chemistry Development Kit (CDK) project * * Contact: cdk-devel@lists.sourceforge.net * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License * as published by the Free Software Foundation; either version 2.1 * of the License, or (at your option) any later version. * * This program is distributed in the hope that it will be useful, * but WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the * GNU Lesser General Public License for more details. * * You should have received a copy of the GNU Lesser General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA. */ package org.openscience.cdk.isomorphism.matchers.smarts; import org.openscience.cdk.interfaces.IAtom; /** * This matcher checks the formal charge of the Atom. * * @cdk.module smarts * @cdk.githash * @cdk.keyword SMARTS */ public class FormalChargeAtom extends SMARTSAtom { private static final long serialVersionUID = 1203658471548492071L; /** * Creates a new instance * * @param charge */ public FormalChargeAtom(int charge) { this.formalCharge = charge; } /* (non-Javadoc) * @see org.openscience.cdk.isomorphism.matchers.smarts.SMARTSAtom#matches(org.openscience.cdk.interfaces.IAtom) */ public boolean matches(IAtom atom) { return atom.getFormalCharge() == this.formalCharge; } /* (non-Javadoc) * @see org.openscience.cdk.PseudoAtom#toString() */ public String toString() { StringBuffer s = new StringBuffer(); s.append("FormalChargeAtom("); s.append(this.hashCode() + ", "); s.append("C:" + this.formalCharge); s.append(")"); return s.toString(); } }